ACCESSION: MSBNK-Waters-WA002720
RECORD_TITLE: Isocarboxazid; LC-ESI-Q; MS; POS; 45 V
DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06)
AUTHORS: Nihon Waters K.K.
LICENSE: CC BY-NC

CH$NAME: Isocarboxazid
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₂H₁₃N₃O₂
CH$EXACT_MASS: 231.10078
CH$SMILES: Cc(o2)cc(n2)C(=O)NNCc(c1)cccc1
CH$IUPAC: InChI=1S/C12H13N3O2/c1-9-7-11(15-17-9)12(16)14-13-8-10-5-3-2-4-6-10/h2-7,13H,8H2,1H3,(H,14,16)
CH$LINK: CAS 59-63-2
CH$LINK: INCHIKEY XKFPYPQQHFEXRZ-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID4023171

AC$INSTRUMENT: ZQ, Waters
AC$INSTRUMENT_TYPE: LC-ESI-Q
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION ESI
AC$CHROMATOGRAPHY: RETENTION_TIME 14.380 min
AC$CHROMATOGRAPHY: COLUMN_NAME 2.1 mm id - 3. 5{mu}m XTerra C18MS
AC$CHROMATOGRAPHY: COLUMN_TEMPERATURE 35 C
AC$CHROMATOGRAPHY: SAMPLING_CONE 45 V

MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5

PK$SPLASH: splash10-001i-0970000000-67f3fe3f6a7fc08493f0
PK$NUM_PEAK: 43
PK$PEAK: m/z int. rel.int.
  103 24 24
  106 282 282
  108 20 20
  110 86 86
  115 121 121
  122 20 20
  123 8 8
  130 86 86
  132 729 729
  133 20 20
  144 39 39
  146 16 16
  150 8 8
  154 47 47
  157 8 8
  162 8 8
  163 47 47
  164 8 8
  166 12 12
  168 12 12
  172 51 51
  173 12 12
  187 8 8
  190 12 12
  194 8 8
  196 8 8
  198 12 12
  200 12 12
  204 16 16
  205 8 8
  212 8 8
  219 8 8
  221 24 24
  228 8 8
  232 999 999
  233 90 90
  234 12 12
  245 8 8
  249 24 24
  254 219 219
  255 43 43
  260 8 8
  270 27 27
//